1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine

C11H12N6O2 — CID 135458853

IUPAC1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
SMILESCc1[nH]c2ccccc2c1/C=N/N/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/C11H12N6O2/c1-7-9(6-13-15-11(12)16-17(18)19)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H3,12,15,16)/b13-6+
InChIKeyQVCRMJPJTXAWMU-AWNIVKPZSA-N
MW260.26 g/mol
LogP0.91
Rot. Bonds3

About 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine

1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine (PubChem CID 135458853) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine.

Molecular Properties

Compound Name1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
PubChem CID135458853
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
SMILESCc1[nH]c2ccccc2c1/C=N/N/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/C11H12N6O2/c1-7-9(6-13-15-11(12)16-17(18)19)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H3,12,15,16)/b13-6+
InChIKeyQVCRMJPJTXAWMU-AWNIVKPZSA-N
XLogP0.91
TPSA121.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
CID 136899350
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
N'-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
4-[2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4990748
(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
CID 137051549
1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
CID 3284671
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine?
The IUPAC name of 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine (CID 135458853) is 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine.
What is the SMILES notation for 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine?
The canonical SMILES for 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine is Cc1[nH]c2ccccc2c1/C=N/N/C(N)=N/[N+](=O)[O-].
What is the InChIKey of 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine?
The InChIKey is QVCRMJPJTXAWMU-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-7-9(6-13-15-11(12)16-17(18)19)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H3,12,15,16)/b13-6+.
What are the key properties of 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine?
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine has a molecular weight of 260.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine is sourced from PubChem (CID 135458853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).